2-(3-azanyl-6-azanylidene-xanthen-9-yl)-5-methyl-benzoic acid

Systemtic Name: 2-(3-azanyl-6-azanylidene-xanthen-9-yl)-5-methyl-benzoic acid Openeye Name: 2-(3-amino-6-imino-xanthen-9-yl)-5-methyl-benzoic acid CAS Name: 2-(3-amino-6-imino-9-xanthenyl)-5-methylbenzoic acid IUPAC Name: 2-(3-amino-6-iminoxanthen-9-yl)-5-methylbenzoic acid Traditional Name: 2-(3-amino-6-imino-xanthen-9-yl)-5-methyl-benzoic acid Formula: C21H16N2O3 MolecularWeight: 344.36334

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=C3C=CC(=N)C=C3OC4=C2C=CC(=C4)N)C(=O)O

Isomeric SMILES

CC1=CC(=C(C=C1)C2=C3C=CC(=N)C=C3OC4=C2C=CC(=C4)N)C(=O)O

InChI

InChI=1S/C21H16N2O3/c1-11-2-5-14(17(8-11)21(24)25)20-15-6-3-12(22)9-18(15)26-19-10-13(23)4-7-16(19)20/h2-10,22H,23H2,1H3,(H,24,25)